TREQUINSIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H27N3O3
Molecular Weight	405.4895
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TREQUINSIN

Structure Search

SMILES

COC1=C(OC)C=C2C(CCN3C(=O)N(C)C(C=C23)=NC4=C(C)C=C(C)C=C4C)=C1

InChI

InChIKey=MCMSJVMUSBZUCN-UHFFFAOYSA-N

InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C24H27N3O3
Molecular Weight	405.4895
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:23 UTC 2023` Edited by `admin` on `Sat Dec 16 05:00:23 UTC 2023`
Record UNII	739I2958C1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TREQUINSIN

Official Name

English

trequinsin [INN]

Common Name

English

2,3,6,7-TETRAHYDRO-2-(MESITYLIMINO)-9,10-DIMETHOXY-3-METHYL-4H-PYRIMIDO(6,1-A)ISOQUINOLIN-4-ONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

Code System Code Type Description

EVMPD

SUB11240MIG

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

NCI_THESAURUS

C152731

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

FDA UNII

739I2958C1

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

MESH

C035964

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

INN

5193

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

EPA CompTox

DTXSID2048458

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

SMS_ID

100000077485

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

CAS

79855-88-2

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

PUBCHEM

5537

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

WIKIPEDIA

Trequinsin

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

ChEMBL

CHEMBL285913

Created by admin on Sat Dec 16 05:00:23 UTC 2023 , Edited by admin on Sat Dec 16 05:00:23 UTC 2023

PRIMARY

Related Record Type Details


					FMS08T2916

CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					JOC85XIO65

CGMP-INHIBITED 3',5'-CYCLIC PHOSPHODIESTERASE A

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					739I2958C1

ACTIVE MOIETY

Amount: